| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 20th, 2011 | 19 | Yes |
Popular Name: [2-[(3R)-3-(1-piperidyl)pyrrolidin-1-yl]-3-pyridyl]methanamine [2-[(3R)-3-(1-piperidyl)pyrrolid…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 1.33 | 6.8 | -109.09 | 4 | 4 | 2 | 48 | 262.401 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 4.67 | -46.54 | 3 | 4 | 1 | 47 | 261.393 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.33 | 4.26 | -4.92 | 2 | 4 | 0 | 45 | 260.385 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.33 | 7.27 | -186.06 | 5 | 4 | 3 | 49 | 263.409 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
